Input 01-propagators.03-etrs_taylor.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766762e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 20] | -1.060637205318230e+01 | -1.060637205318229e+01 | 1.060000000000000e-13 | -1.243449787580175e-14 | PASS |
| Multipoles [step 0] | -1.105506311493976e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.693489800296119e-15 | PASS |
| Multipoles [step 20] | -1.265536606512538e-01 | -1.265536606512456e-01 | 1.130000000000000e-14 | -8.187894806610529e-15 | PASS |
| Forces [step 0] | 8.537673799432932e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -1.754152378907747e-14 | PASS |
| Forces [step 20] | 7.966960326022976e-02 | 7.966960326024397e-02 | 1.810000000000000e-14 | -1.421085471520200e-14 | PASS |